General Information of the Compound
| Compound ID |
CP0378175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((5-(4-chlorobenzylthio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl)-6-(trifluoromethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClF3N4OS2
|
||||||||||||||||||
| Molecular Weight |
510.994
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2SCC(=O)N(Cc3nnc(SCc4ccc(Cl)cc4)n3C3CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClF3N4OS2/c23-15-4-1-13(2-5-15)11-33-21-28-27-19(30(21)16-6-7-16)10-29-17-9-14(22(24,25)26)3-8-18(17)32-12-20(29)31/h1-5,8-9,16H,6-7,10-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTFOHALOGSFHFZ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2